Match XCrySDen geometry
Commits >
Commit 12c5144371d4b1b6f2306d5bbdf3ce56936365b0 >
Run intel-2022b_impi >
Input 05-output.02-gs.inp
Value | Reference | Precision | Status |
2.645886000000000e+00 | 2.645886000000000e+00 | 7.130000000000000e-13 | PASS |
Command: LINEFIELD(static/geometry.xsf, 2, 3)